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1,9-diethyl-10-ethylsulfanyl-7-(4-methylphenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

1,9-diethyl-10-ethylsulfanyl-7-(4-methylphenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one

Systemtic Name:1,9-diethyl-10-ethylsulfanyl-7-(4-methylphenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
Openeye Name:1,9-diethyl-10-ethylsulfanyl-7-(p-tolyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
CAS Name:1,9-diethyl-10-(ethylthio)-7-(4-methylphenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
IUPAC Name:1,9-diethyl-10-ethylsulfanyl-7-(4-methylphenyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
Traditional Name:1,9-diethyl-10-(ethylthio)-7-(p-tolyl)-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
Formula: C25H27N3OS
MolecularWeight: 417.56638
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C2N1C3=CC(=C(C=C3C(=NC2)C4=CC=C(C=C4)C)CC)SCC


Isomeric SMILES

CCC1=CC(=O)N=C2N1C3=CC(=C(C=C3C(=NC2)C4=CC=C(C=C4)C)CC)SCC


InChI

InChI=1S/C25H27N3OS/c1-5-17-12-20-21(14-22(17)30-7-3)28-19(6-2)13-24(29)27-23(28)15-26-25(20)18-10-8-16(4)9-11-18/h8-14H,5-7,15H2,1-4H3


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